Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate

CAS

94201-74-8

Catalog Number

ACM94201748

Category

Other Products

Molecular Weight

307.427760 [g/mol]

Molecular Formula

C₁₈H₂₉NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 303-663-7, CID3024004, Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate, 94201-74-8

IUPAC Name

methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate

Canonical SMILES

CC(CCCC(C)(C)O)CCNC1=CC=CC=C1C(=O)OC

InChI Key

YLWASZIQQSARJP-UHFFFAOYSA-N

Boiling Point

434.6ºC at 760mmHg

Flash Point

216.6ºC

Density

1.048g/cm³

EC Number

303-663-7

Exact Mass

307.21500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The molecular formula is C18H29NO3.

What is the IUPAC Name of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The IUPAC Name is methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate.

What is the molecular weight of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The molecular weight is 307.4 g/mol.

What is the Canonical SMILES notation for Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The Canonical SMILES is CC(CCCC(C)(C)O)CCNC1=CC=CC=C1C(=O)OC.

How many hydrogen bond donor counts are there in Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The XLogP3-AA value is 4.7.

What is the exact mass of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The exact mass is 307.21474379 g/mol.

How many rotatable bond counts are there in Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

There are 10 rotatable bond counts.

What is the topological polar surface area of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?

The topological polar surface area is 58.6 Å².

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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